4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methanoyl-amino]benzoic acid

Systemtic Name: 4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methanoyl-amino]benzoic acid Openeye Name: 4-[(2,4-diaminopteridin-6-yl)methyl-formyl-amino]benzoic acid CAS Name: 4-[(2,4-diamino-6-pteridinyl)methyl-formylamino]benzoic acid IUPAC Name: 4-[(2,4-diaminopteridin-6-yl)methyl-formylamino]benzoic acid Traditional Name: 4-[(2,4-diaminopteridin-6-yl)methyl-formyl-amino]benzoic acid Formula: C15H13N7O3 MolecularWeight: 339.30882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)N(CC2=CN=C3C(=N2)C(=NC(=N3)N)N)C=O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)N(CC2=CN=C3C(=N2)C(=NC(=N3)N)N)C=O

InChI

InChI=1S/C15H13N7O3/c16-12-11-13(21-15(17)20-12)18-5-9(19-11)6-22(7-23)10-3-1-8(2-4-10)14(24)25/h1-5,7H,6H2,(H,24,25)(H4,16,17,18,20,21)